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中国物理学会期刊

原子体系近核区电子波函数振幅(Ⅲ)——用不同自洽场理论方法对若干问题比较研究

CSTR: 32037.14.aps.42.379

AMPLITUDES OF ELECTRONIC WAVEFUNCTIONS AT NUCLEI FOR ATOMS (III)——THEIR DEPENDENCE ON THE CHOICE OF SCF METHODS

CSTR: 32037.14.aps.42.379
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  • 比较研究了根据Dirac-Fock,Dirac-Slater,Hartree-Fock和Hartree-Slater自洽场理论方法所计算的氮原子、铁原子、铀原子、类氮铁离子以及类氮铀离子各占有壳层近核区电子波函数(约化归一因子),阐述了电子组态耦合项的影响相对论效应以及电子交换作用局域近似效应。

     

    Based on Dirac-Fock, Dirac-Slater, Hartree-Fock and Hartree-Slater self-consistent-field methods, we have conducted calculations of reduced normalization factors of occupied shell wavefunctions of nitrogon, iron, and uranium atoms as well as nitrogon-like inon and uranium ions. Their dependence on various coupling terms as well as relativistic effects and effects of the Slater local electron density approximation are discussed.

     

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